SCHEMBL11073696

SCHEMBL11073696

[c]1ccc(-n2cnc3c2CCCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.50
▸ PDE3A Q14432 5/20 0.50
▸ PDE2A O00408 2/20 0.50
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45
▸ PDE1C Q14123 1/20 0.45
▸ CYP11B2 P19099 7/20 0.38
▸ MAP3K5 Q99683 1/20 0.33
▸ PDK2 Q15119 4/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7425735 0.82 PDE3B (0.52) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL17185938 0.79 PDE3B (0.53) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7293060 0.77 PDE3B (0.54) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11006142 0.74 PDE3B (0.52) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7381531 0.73 CYP11B2 (0.52) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7409893 0.71 PDE3B (0.49) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10667819 0.68 PDE3B (0.46) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7289586 0.68 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7278083 0.68 PDE3B (0.57) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL944218 0.67 FGFR1 (0.45) PDE3BPDE3APDE2APDE1APDE1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126651-A2 2,4-Dihydro-5-((substituted)phenyl)-4,4-disubstituted-3H-pyrazol-3-ones, 2,4-dihydro-5-((substituted)phenyl)-4, 4-disubstituted-3H-pyrazol-3-thiones, and a process for producing the same WARNER-LAMBERT COMPANY (US) 1984-11-28 — — EP disclosed
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